CAS RN: 7511-30-0

22-methoxy-22-oxodocosanoic acid

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 10g In stock Shanghai Inquiry
Batchno.20250630 1g In stock Shanghai Inquiry
Batchno.20250107 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250823 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260606 25g In stock Shanghai Inquiry
Batchno.20260501 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS7511-30-0
  • Purity/Analytical Methods: >99.0%
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7511-30-0 / 22-methoxy-22-oxodocosanoic acid

Standard CAS: 7511-30-0 Multi CAS: No

Basic Information

CAS
7511-30-0
Multi CAS
No
Molecular Formula
C23H44O4
Molecular Weight
384.600000
Exact Mass
384.323960
InChI
InChI=1S/C23H44O4/c1-27-23(26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-21H2,1H3,(H,24,25)
InChIKey
VLADQLCDUQNNNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.91
Rotatable bonds
21
H-bond acceptors
3
H-bond donors
1
Molar refractivity
111.99
TPSA
63.6

LogP / Solubility

WLOGP
7.05
MLOGP
6.22
XLogP3
8.9
Consensus LogP
7.39
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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